Z5Z
概要
| 表記: | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
| 組成式: | C9 H15 N3 O S |
| 電荷: | 0 |
| 化学式量: | 213.3 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
| OpenEye OEToolkits | 2.0.7 | (2~{R},6~{S})-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1nc(sn1)N1CC(C)OC(C)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+ |
| InChIKey | InChI | 1.06 | UXNQAHCNOXNZAL-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(C[C@@H](C)O1)c2snc(C)n2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C[CH](C)O1)c2snc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(sn1)N2C[C@H](O[C@H](C2)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(sn1)N2CC(OC(C2)C)C |
